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Home > Boronic Acids > 151075-20-6
151075-20-6 | 3-Cyclohexene-1-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 151075-20-6 Catalog No: AG001N2I MDL No:MFCD11520532
Product Description
Catalog Number:
AG001N2I
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
151075-20-6
Molecular Formula:
C14H23BO4
Molecular Weight:
266.1410
MDL Number:
MFCD11520532
IUPAC Name:
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C14H23BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h8,10H,6-7,9H2,1-5H3
InChI Key:
SXBXVZNWDYRGPR-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.144g/mol
Monoisotopic Mass:
266.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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